![Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-](/cid/85-660-5/Acetamide-N-4-5-methyl-3-isoxazolyl-amino-sulfonyl-phenyl.png "Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-")
- InChI
- InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
- InChI Key
- GXPIUNZCALHVBA-UHFFFAOYSA-N
- Formula
- C12H13N3O4S
- SMILES
-
CC(O)=Nc1ccc(S(=O)(=O)Nc2cc(C)
on2)cc1 - Molecular Weight1
- 295.31
- CAS
- 21312-10-7
- Other Names
-
- N-[4-[[(5-methylisoxazol-3-yl)amino]sulphonyl]phenyl]acetamide
- N4-Acetyl sulfamethoxazol
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9111 | Relay (... Calculated Property | |
| ΔfG° | -34.16 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -354.44 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 135.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.12 | eV | Relay (... Calculated Property |
| log10WS | -2.78 | Relay (... Calculated Property | |
| logPoct/wat | 2.392 | Crippen Calculated Property | |
| McVol | 202.190 | ml/mol | McGowan Calculated Property |
| Pc | 3502.35 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2648.00; 2648.00] |
|
|
| Inp | 2648.00 | NIST | |
| Inp | 2648.00 | NIST | |
| Tboil | 682.83 | K | Relay (... Calculated Property |
| Tc | 999.28 | K | Relay (... Calculated Property |
| Tfus | 506.47 | K | Relay (... Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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